Construction of smooth gauge using the concept "pseudo-Bloch functions", contruction of k.p Hamiltonian at the ab-inito level, symmetry analysis for single-particle and two-particle states(e.g. excitons). Details please refer (https://www.pnas.org/doi/abs/10.1073/pnas.2307611120)
We recommend learning the basic usage from the examples provided with the source distribution in ~SymmGauge/examples/
The following software and modules are required to use SymmGauge.
- python 3.0+
- numpy 1.6+ (http://www.scipy.org/)
- BerkeleyGW 2.0+ (http://www.berkeleygw.org/)
- h5py
Once you have satisfied the requirements, install the package with
python setup.py install